Compound Identification
SMILES
COC(=O)C1=CC(SC2=C(C#N)C(C3=CC=C(Cl)C=C3)=C(C#N)C(N)=N2)=CC=C1
InChIKey
InChIKey=ZPLLACAWHOCGKY-UHFFFAOYSA-N
Formula
C21H13ClN4O2S
Mass
420.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
- Subclass Phenylpyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Phenylpyridines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyridines
Alternative Parents
Diarylthioethers M-sulfanylbenzoic acids and derivatives Benzoic acid esters Thiophenol ethers 3-pyridinecarbonitriles Benzoyl derivatives Aminopyridines and derivatives Chlorobenzenes Aryl chlorides Imidolactams Methyl esters Heteroaromatic compounds Amino acids and derivatives Sulfenyl compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyridine - Diarylthioether - M-sulfanylbenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - 3-pyridinecarbonitrile - Aminopyridine - Chlorobenzene - Halobenzene - Imidolactam - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carbonitrile - Nitrile - Organosulfur compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
External Descriptors
Not available